4-amino-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide

C12H20N2O3S — CID 61111847

IUPAC4-amino-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCCN(C(C)COC)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H20N2O3S/c1-4-14(10(2)9-17-3)18(15,16)12-7-5-11(13)6-8-12/h5-8,10H,4,9,13H2,1-3H3
InChIKeyPBHLBYWOJKMQLD-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.31
Rot. Bonds6

About 4-amino-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide

4-amino-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide (PubChem CID 61111847) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
PubChem CID61111847
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name4-amino-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCCN(C(C)COC)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H20N2O3S/c1-4-14(10(2)9-17-3)18(15,16)12-7-5-11(13)6-8-12/h5-8,10H,4,9,13H2,1-3H3
InChIKeyPBHLBYWOJKMQLD-UHFFFAOYSA-N
XLogP1.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide
CID 55139513
5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide
CID 61111850
2-amino-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 55043601
4-(3-chloropropyl)-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 62924340
5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2,3-dimethylbenzenesulfonamide
CID 61105109
6-cyano-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 115602608
N-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide
CID 61254119
4-amino-N-butan-2-yl-N-ethyl-3-methoxybenzenesulfonamide
CID 81438339
4-(1-aminoethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61452492
4-[butan-2-yl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791315
4-amino-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 55001042
N-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide
CID 43453699

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide (CID 61111847) is 4-amino-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide is CCN(C(C)COC)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The InChIKey is PBHLBYWOJKMQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-14(10(2)9-17-3)18(15,16)12-7-5-11(13)6-8-12/h5-8,10H,4,9,13H2,1-3H3.
What are the key properties of 4-amino-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide?
4-amino-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61111847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).